SCHEMBL3871024

SCHEMBL3871024

CCC1c2c[c]ccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
ACHE P22303 2/20 0.35
BCHE P06276 1/20 0.35
GPR3 P46089 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PDE10A Q9Y233 1/20 0.34
FABP5 Q01469 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1656095 0.91
SCHEMBL27969025 0.86 HTR2A (0.40) HTR2AACHEBCHEGPR3CA1
SCHEMBL633764 0.82 HTR2A (0.58) HTR2AACHEBCHEGPR3CA1
SCHEMBL3880187 0.82 HTR2A (0.41) HTR2AACHEBCHE
SCHEMBL8586913 0.80 HTR2A (0.56) HTR2AACHEBCHEGPR3CA1
SCHEMBL8587288 0.80 HTR2A (0.56) HTR2AACHEBCHEGPR3CA1
Potassium SCHEMBL8586916 0.80 HTR2A (0.56) HTR2AACHEBCHEGPR3CA1
Lithium SCHEMBL8587291 0.80 HTR2A (0.56) HTR2AACHEBCHEGPR3CA1
Hydrochloric Acid SCHEMBL8174122 0.78 HTR2A (0.54) HTR2AACHEBCHEGPR3CA1
SCHEMBL17767357 0.76 HTR2A (0.37) HTR2AACHECA1CA2CHRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006278-B2 BENZOFLUORENE COMPOUND AND USE THEREOF TOSOH CORP (JP) 2016-10-12 EP disclosed
CN-102643161-B Benzofluorene compound and uses thereof TOSOH CORPORATION (JP) 2015-10-14 CN disclosed
EP-2870204-A2 ORGANIC DYES COMPRISING A HYDRAZONE MOIETY AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS BASF SE (DE) 2015-05-13 EP disclosed
US-8993805-B2 Benzofluorene compound and use thereof TOSOH CORPORATION (JP) 2015-03-31 US disclosed
WO-2014006544-A2 ORGANIC DYES COMPRISING A HYDRAZONE MOIETY AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS BASF SE (DE) 2014-01-09 WO disclosed
CN-101421226-B Benzofluorene compound and use thereof TOSOH CORP 2013-05-22 CN disclosed
EP-2006278-B1 BENZOFLUORENE COMPOUND AND USE THEREOF TOSOH CORP (JP) 2012-12-26 EP disclosed
CN-102643161-A Benzofluorene compound and use thereof TOSOH CORP 2012-08-22 CN disclosed
EP-2006278-A9 BENZOFLUORENE COMPOUND AND USE THEREOF Tosoh Corporation (JP) 2009-08-05 EP disclosed
US-20090184312-A1 BENZOFLUORENE COMPOUND AND USE THEREOF TOSOH CORPORATION (JP) 2009-07-23 US disclosed
CN-101421226-A Benzofluorene compound and use thereof TOSOH CORP (JP) 2009-04-29 CN disclosed
US-7482490-B2 Amine compound having fluorene group as framework, process for producing the amine compound, and use of the amine compound TOSOH CORPORATION (JP) 2009-01-27 US disclosed
EP-2006278-A2 BENZOFLUORENE COMPOUND AND USE THEREOF Tosoh Corporation (JP) 2008-12-24 EP disclosed
US-20080194878-A1 Amine Compound Having Fluorene Group as Framework, Process for Producing the Amine Compound, and Use of the Amine Compound TOSOH CORPORATION (JP) 2008-08-14 US disclosed
US-7189877-B2 Arylamine derivatives having fluorene skeleton, synthetic intermediates thereof, processes of producing those, and organic electrolumivescene devices TOSCH CORPORATION (JP) 2007-03-13 US disclosed
EP-1752440-A1 AMINE COMPOUND HAVING FLUORENE GROUP AS FRAMEWORK, PROCESS FOR PRODUCING THE AMINE COMPOUND, AND USE OF THE AMINE COMPOUND Tosoh Corporation (JP) 2007-02-14 EP disclosed
EP-1400578-B1 Electrolumisescent 9,9-bis(4-amino)-1,1'-biphenyl)fluorene derivatives TOSOH CORP (JP) 2005-11-30 EP disclosed
US-20040110958-A1 Novel arylamine derivatives having fluorene skeleton, synthetic intermediates thereof, processes of producing those, and organic electrolumivescene devices TOSOH CORPORATION 2004-06-10 US disclosed
EP-1400578-A1 Electrolumisescent 9,9-bis(4-amino)-1,1'-biphenyl)fluorene derivatives Tosoh Corporation (JP) 2004-03-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040110958-A1 Novel arylamine derivatives having fluorene skeleton, synthetic intermediates thereof, processes of producing those, and organic electrolumivescene devices AHR, NAT1, AR HTR2A 136/4885ACHE 3669/4885BCHE 4559/4885
US-20090184312-A1 BENZOFLUORENE COMPOUND AND USE THEREOF SLC7A1, SLC43A1, SLC7A5 HTR2A 1395/4885ACHE 4701/4885BCHE 4179/4885
US-20080194878-A1 Amine Compound Having Fluorene Group as Framework, Process for Producing the Amine Compound, and Use of the Amine Compound TAAR1, SLC18A1, ADRB2 HTR2A 67/4885ACHE 2539/4885BCHE 3136/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.